{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.333523 0.666667 ] [ 0.666477 0.666477 0 ] [ 0.333523 0 0.333333 ] [ 0.450325 0.784492 0.663637 ] [ 0.665833 0.215508 0.00303 ] [ 0.784492 0.450325 0.336363 ] [ 0.116141 0.116141 0 ] [ 0.883859 0 0.333333 ] [ 0.334167 0.549675 0.330304 ] [ 0.549675 0.334167 0.669696 ] [ 0.215508 0.665833 0.99697 ] [ 0 0.883859 0.666667 ] [ 0.667247 0.667247 0.5 ] [ 0 0.332753 0.166667 ] [ 0.219515 0.219515 0.5 ] [ 0.447847 0.330618 0.170442 ] [ 0.669382 0.11723 0.503775 ] [ 0 0.780485 0.166667 ] [ 0.552153 0.88277 0.162892 ] [ 0.780485 0 0.833333 ] [ 0.88277 0.552153 0.837108 ] [ 0.11723 0.669382 0.496225 ] [ 0.332753 0 0.833333 ] [ 0.330618 0.447847 0.829558 ] [ 0.476044 0.143793 0.835793 ] [ 0.588721 0.325754 0.177125 ] [ 0.692161 0.878362 0.181632 ] [ 0.143793 0.476044 0.164207 ] [ 0.523956 0.667749 0.497541 ] [ 0.856207 0.332251 0.169126 ] [ 0.212579 0.35866 0.483638 ] [ 0.923857 0 0.833333 ] [ 0.674246 0.262967 0.510459 ] [ 0.47771 0.457448 0.816799 ] [ 0 0.189256 0.166667 ] [ 0.332251 0.856207 0.830874 ] [ 0.667749 0.523956 0.502459 ] [ 0.1862 0.307839 0.848299 ] [ 0.189256 0 0.833333 ] [ 0.878362 0.692161 0.818368 ] [ 0.8138 0.121638 0.485035 ] [ 0.52229 0.979738 0.516534 ] [ 0.979738 0.52229 0.483466 ] [ 0.076143 0.076143 0.5 ] [ 0.020262 0.542552 0.849867 ] [ 0.325754 0.588721 0.822875 ] [ 0.737033 0.411279 0.843792 ] [ 0.853919 0.64134 0.183029 ] [ 0.146081 0.787421 0.150304 ] [ 0.121638 0.8138 0.514965 ] [ 0.542552 0.020262 0.150133 ] [ 0.810744 0.810744 0.5 ] [ 0 0.923857 0.166667 ] [ 0.457448 0.47771 0.183201 ] [ 0.262967 0.674246 0.489541 ] [ 0.64134 0.853919 0.816971 ] [ 0.787421 0.146081 0.849696 ] [ 0.411279 0.737033 0.156208 ] [ 0.35866 0.212579 0.516362 ] [ 0.307839 0.1862 0.151701 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.65536043307 "source-unit" "angstrom" } "c" { "source-value" 7.68200953 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.0981275645 "source-unit" "eV" } }